6YAT: STK4

Crystal structure of STK4 (MST1) in complex with compound 6. Determined by X-ray diffraction at 2.58 Å resolution. Released 29 Apr 2020.

Method: X-ray diffraction
Resolution: 2.58 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,513
Mol. weight: 73.14 kDa
Ligands: 3FX, OJ5
Released: 29 Apr 2020

Explore 6YAT in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6YAT contains 37 α-helices and 30 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 19 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	26-29	4
β-strand	30-39	10	1
β-strand	42-49	8	1
β-strand	55-61	7	1
α-helix	67-79	13
β-strand	85	1	2
α-helix	86-87	2
β-strand	88-94	7	1
β-strand	97-102	6	1
β-strand	108-109	2	2
α-helix	110-117	8
α-helix	120-122	3
α-helix	123-142	20
β-strand	145-146	2	3
α-helix	152-154	3
β-strand	155-157	3	2
β-strand	163-165	3	2
β-strand	172-173	2	3
β-strand	175	1	4
β-strand	178	1	4
β-strand	181	1	5
α-helix	188-190	3
α-helix	193-196	4
β-strand	201	1	5
α-helix	205-219	15
α-helix	229-235	7
α-helix	240-242	3
α-helix	247-249	3
α-helix	252-261	10
α-helix	270-271	2
α-helix	272-275	4
α-helix	279-282	4
α-helix	287-290	4
α-helix	291-304	14

Chain B: 18 helices, 15 β-strands

Element	Residues	Length	Sheet
β-strand	31-39	9	6
β-strand	42-48	7	6
β-strand	55-62	8	6
α-helix	69-79	11
β-strand	85	1	7
α-helix	86-87	2
β-strand	88-94	7	6
β-strand	97-103	7	6
β-strand	108-109	2	7
α-helix	110-117	8
α-helix	120-122	3
α-helix	123-142	20
β-strand	145-146	2	8
α-helix	152-154	3
β-strand	155-157	3	7
β-strand	163-165	3	7
β-strand	172-173	2	8
β-strand	175	1	9
β-strand	178	1	9
β-strand	181	1	10
α-helix	188-190	3
α-helix	193-196	4
β-strand	201	1	10
α-helix	205-219	15
α-helix	229-235	7
α-helix	240-242	3
α-helix	247-249	3
α-helix	252-261	10
α-helix	270-271	2
α-helix	272-275	4
α-helix	279-282	4
α-helix	287-290	4
α-helix	291-304	14

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Serine/threonine-protein kinase 4	A, B	protein	314	Homo sapiens	Q13043 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>6YAT_1 Serine/threonine-protein kinase 4 (chains A, B)
SMETVQLRNPPRRQLKKLDEDSLTKQPEEVFDVLEKLGEGSYGSVYKAIHKETGQIVAIK
QVPVESDLQEIIKEISIMQQCDSPHVVKYYGSYFKNTDLWIVMEYCGAGSVSDIIRLRNK
TLTEDEIATILQSTLKGLEYLHFMRKIHRDIKAGNILLNTEGHAKLADFGVAGQLTDTMA
KRNTVIGTPFWMAPEVIQEIGYNCVADIWSLGITAIEMAEGKPPYADIHPMRAIFMIPTN
PPPTFRKPELWSDNFTDFVKQCLVKSPEQRATATQLLQHPFVRSAKGVSILRDLINEAMD
VKLKRQESQQREEG

Ligands and cofactors

ID	Name	Formula	Copies
3FX	(2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid	C9 H19 N O4 S	1
OJ5	4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine	C16 H15 Cl N4 O	2

Water and common crystallization additives (GOL) are not listed.

Primary citation

Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia. Bata, N., Chaikuad, A., Bakas, N.A. et al. J Med Chem (2022) 65:1352-1369. DOI 10.1021/acs.jmedchem.1c00804 · PubMed

Other PDB entries of the same protein (UniProt Q13043 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8PAV 1.9 Å, Crystal structure of MST1 with a MAP4K1 SMOL inhibitor
4NR2 2.0 Å, Crystal structure of STK4 (MST1) SARAH domain
8A5J 2.12 Å, Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1
8PAW 2.14 Å, Crystal structure of MST1 with a MAP4K1 SMOL inhibitor
3COM 2.2 Å, Crystal structure of Mst1 kinase
4OH8 2.28 Å, Crystal Structure of the human MST1-RASSF5 SARAH heterodimer
5TWG 2.3 Å, human MOB1A bound to human MST1 phosphorylated T353 peptide
9VX3 2.39 Å, Crystal structure of the peptide-bound form of HisMab-1 Fv-clasp
5TWH 2.5 Å, human MOB1A bound to MST1 phosphorylated T367 peptide
7CEA 2.55 Å, Crystal structure of HUTS-4 Fv-clasp fragment
9IIC 2.78 Å, Crystal structure of HOIP RING2-LDD in complex with STK4 KD domain
7CEB 2.89 Å, Crystal structure of alpha6beta1 integrin headpiece

Browse structure collections

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